SCHEMBL28108459

SCHEMBL28108459

C=CCOC(=O)N1C(=O)CC(Br)C1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
MGLL Q99685 1/20 0.33
CYP19A1 P11511 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
CHRM1 P11229 1/20 0.31
ERN1 O75460 1/20 0.30
GSK3B P49841 1/20 0.30
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11043941 0.82 ALDH1A1 (0.36) RAB9AGAA
SCHEMBL28108463 0.78 KDM4E (0.36) LMNA
SCHEMBL11046058 0.77 CHRM2 (0.34) CHRM1
SCHEMBL18485419 0.76 CYP3A4 (0.39) FAAHNPSR1CYP3A4MGLLLMNA
SCHEMBL18485441 0.73 HTT (0.40) FAAHNPSR1CYP3A4MGLLRAB9A
SCHEMBL18485435 0.72 TSHR (0.37) FAAHNPSR1CYP3A4MGLLLMNA
SCHEMBL6930133 0.72 TSHR (0.37) FAAHNPSR1CYP3A4MGLLLMNA
SCHEMBL6235468 0.71 CYP19A1 (0.33) FAAHNPSR1CYP3A4MGLLCYP19A1
SCHEMBL8521913 0.69 CYP3A4 (0.43) NPSR1CYP3A4LMNAMAPK1RAB9A
SCHEMBL23812541 0.67 NPSR1 (0.40) FAAHNPSR1CYP3A4MGLLCYP19A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106133984-A Addition agent of non-aqueous electrolyte, nonaqueous electrolytic solution and electrical storage device 住友精化株式会社 2016-11-16 CN disclosed